N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide

C17H22N4O2 — CID 84597397

IUPACN-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCOc1ccnc2c(NC(=O)N3CCCN(C)CC3)cccc12
InChIInChI=1S/C17H22N4O2/c1-20-9-4-10-21(12-11-20)17(22)19-14-6-3-5-13-15(23-2)7-8-18-16(13)14/h3,5-8H,4,9-12H2,1-2H3,(H,19,22)
InChIKeyMAIXCNFDJKVTFT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.41
Rot. Bonds2

About N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide

N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide (PubChem CID 84597397) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide
PubChem CID84597397
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCOc1ccnc2c(NC(=O)N3CCCN(C)CC3)cccc12
InChIInChI=1S/C17H22N4O2/c1-20-9-4-10-21(12-11-20)17(22)19-14-6-3-5-13-15(23-2)7-8-18-16(13)14/h3,5-8H,4,9-12H2,1-2H3,(H,19,22)
InChIKeyMAIXCNFDJKVTFT-UHFFFAOYSA-N
XLogP2.41
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68992823
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193391
N-(2,3-dimethoxyphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343981
4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 55695804
N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide
CID 75396693
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide
CID 11011997
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465
N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165128
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide (CID 84597397) is N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide is COc1ccnc2c(NC(=O)N3CCCN(C)CC3)cccc12.
What is the InChIKey of N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide?
The InChIKey is MAIXCNFDJKVTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-9-4-10-21(12-11-20)17(22)19-14-6-3-5-13-15(23-2)7-8-18-16(13)14/h3,5-8H,4,9-12H2,1-2H3,(H,19,22).
What are the key properties of N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide?
N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 84597397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).